(1R,2S,5R)-2-Isopropyl-N-(4-methoxyphenyl)-5-methylcyclohexanecarboxamide
[CAS# 68489-09-8]

Identification

• Name: (1R,2S,5R)-2-Isopropyl-N-(4-methoxyphenyl)-5-methylcyclohexanecarboxamide
• Synonyms: WS 12
• Molecular Formula: C₁₈H₂₇NO₂
• Molecular Weight: 289.41
• CAS Registry Number: 68489-09-8
• SMILES: C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)OC)C(C)C
• InChI: 1S/C18H27NO2/c1-12(2)16-10-5-13(3)11-17(16)18(20)19-14-6-8-15(21-4)9-7-14/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,19,20)/t13-,16+,17-/m1/s1
• InChIKey: HNSGVPAAXJJOPQ-XOKHGSTOSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 447.8±28.0°C at 760 mmHg (Cal.)
• Flash point: 224.6±24.0°C (Cal.)
• solubility: Soluble to 75 mM in ethanol